Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H26N2O5.H2O |
Molecular Weight | 428.4782 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N2CC3=C(C[C@H]2C(O)=O)C=CC=C3
InChI
InChIKey=OFYSYEOWQQCPEU-ZAFWUOJLSA-N
InChI=1S/C23H26N2O5.H2O/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30;/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30);1H2/t15-,19-,20-;/m0./s1
Molecular Formula | C23H26N2O5 |
Molecular Weight | 410.4629 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:35:31 UTC 2023
by
admin
on
Fri Dec 15 18:35:31 UTC 2023
|
Record UNII |
3P66XFG826
|
Record Status |
Validated (UNII)
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Record Version |
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-
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3P66XFG826
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300000043919
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admin on Fri Dec 15 18:35:31 UTC 2023 , Edited by admin on Fri Dec 15 18:35:31 UTC 2023
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25030442
Created by
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1435786-09-6
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admin on Fri Dec 15 18:35:31 UTC 2023 , Edited by admin on Fri Dec 15 18:35:31 UTC 2023
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DBSALT002763
Created by
admin on Fri Dec 15 18:35:31 UTC 2023 , Edited by admin on Fri Dec 15 18:35:31 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |